SCHEMBL27445006

SCHEMBL27445006

[O]C(c1ncc[nH]1)S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.37
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
CSNK1A1 P48729 1/20 0.34
TYRO3 Q06418 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
ALDH1A1 P00352 2/20 0.33
FDPS P14324 1/20 0.33
KDM4E B2RXH2 1/20 0.33
F2RL1 P55085 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MTOR P42345 1/20 0.31
ADK P55263 1/20 0.31
NISCH Q9Y2I1 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8061499 0.78 ALDH1A1 (0.40) FPR2ADRA2AADRA2BADRA2CCSNK1A1
SCHEMBL27695954 0.74 FPR2 (0.42) FPR2ADRA2AADRA2BADRA2CALDH1A1
SCHEMBL917944 0.74 FPR2 (0.40) FPR2F2RL1
SCHEMBL839758 0.70
SCHEMBL2887479 0.69
SCHEMBL9501488 0.69 F2RL1 (0.46) F2RL1
SCHEMBL30481068 0.68 MMP1 (0.36) FPR2ADRA2AADRA2BADRA2CF2RL1
Sulfuric Acid SCHEMBL28689223 0.68 FPR2 (0.42) FPR2ADRA2AADRA2BADRA2CF2RL1
SCHEMBL5353787 0.68 ALDH1A1 (0.43) FPR2ADRA2AADRA2BADRA2CCSNK1A1
SCHEMBL9225861 0.67 FDPS (0.41) FPR2FDPSMMP1MMP3MMP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1098716-A Vasopressin antagonists and oxytocin antagonists OTSUKA CHEMICAL CO LTD (JP) 1995-02-15 CN disclosed